Multiscale Modeling Of Complex Materials

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Multiscale Modeling And Analysis For Materials Simulation

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Author : Weizhu Bao
language : en
Publisher: World Scientific
Release Date : 2012

Multiscale Modeling And Analysis For Materials Simulation written by Weizhu Bao and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Mathematics categories.

The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.

Multiscale Modeling Of Complex Molecular Structure And Dynamics With Mbn Explorer

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Author : Ilia A. Solov’yov
language : en
Publisher: Springer
Release Date : 2017-05-16

Multiscale Modeling Of Complex Molecular Structure And Dynamics With Mbn Explorer written by Ilia A. Solov’yov and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-05-16 with Science categories.

This book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer’s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).

Multiscale Modeling For Process Safety Applications

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Author : Arnab Chakrabarty
language : en
Publisher: Butterworth-Heinemann
Release Date : 2015-11-29

Multiscale Modeling For Process Safety Applications written by Arnab Chakrabarty and has been published by Butterworth-Heinemann this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-29 with Technology & Engineering categories.

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. - Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety - Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources - Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field - Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader

Multiscale Modeling In Solid Mechanics

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Author : Ugo Galvanetto
language : en
Publisher: World Scientific
Release Date : 2010

Multiscale Modeling In Solid Mechanics written by Ugo Galvanetto and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with Technology & Engineering categories.

This unique volume presents the state of the art in the field of multiscale modeling in solid mechanics, with particular emphasis on computational approaches. For the first time, contributions from both leading experts in the field and younger promising researchers are combined to give a comprehensive description of the recently proposed techniques and the engineering problems tackled using these techniques. The book begins with a detailed introduction to the theories on which different multiscale approaches are based, with regards to linear homogenization as well as various nonlinear approaches. It then presents advanced applications of multiscale approaches applied to nonlinear mechanical problems. Finally, the novel topic of materials with self-similar structure is discussed.

Principles Of Multiscale Modeling

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Author : Weinan E
language : en
Publisher: Cambridge University Press
Release Date : 2011-07-07

Principles Of Multiscale Modeling written by Weinan E and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-07 with Mathematics categories.

A systematic discussion of the fundamental principles, written by a leading contributor to the field.

Multiscale Modeling Of Complex Materials

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Author : Tomasz Sadowski
language : en
Publisher: Springer
Release Date : 2014-10-14

Multiscale Modeling Of Complex Materials written by Tomasz Sadowski and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-14 with Science categories.

The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.

Integrated Design Of Multiscale Multifunctional Materials And Products

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Author : David L. McDowell
language : en
Publisher: Butterworth-Heinemann
Release Date : 2009-09-30

Integrated Design Of Multiscale Multifunctional Materials And Products written by David L. McDowell and has been published by Butterworth-Heinemann this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-30 with Technology & Engineering categories.

Integrated Design of Multiscale, Multifunctional Materials and Products is the first of its type to consider not only design of materials, but concurrent design of materials and products. In other words, materials are not just selected on the basis of properties, but the composition and/or microstructure iw designed to satisfy specific ranged sets of performance requirements. This book presents the motivation for pursuing concurrent design of materials and products, thoroughly discussing the details of multiscale modeling and multilevel robust design and provides details of the design methods/strategies along with selected examples of designing material attributes for specified system performance. It is intended as a monograph to serve as a foundational reference for instructors of courses at the senior and introductory graduate level in departments of materials science and engineering, mechanical engineering, aerospace engineering and civil engineering who are interested in next generation systems-based design of materials. - First of its kind to consider not only design of materials, but concurrent design of materials and products - Treatment of uncertainty via robust design of materials - Integrates the "materials by design approach" of Olson/Ques Tek LLC with the "materials selection" approach of Ashby/Granta - Distinquishes the processes of concurrent design of materials and products as an overall systems design problem from the field of multiscale modeling - Systematic mathematical algorithms and methods are introduced for robust design of materials, rather than ad hoc heuristics--it is oriented towards a true systems approach to design of materials and products

Multiphysics And Multiscale Modeling

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Author : Young W. Kwon
language : en
Publisher: CRC Press
Release Date : 2015-10-05

Multiphysics And Multiscale Modeling written by Young W. Kwon and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-05 with Science categories.

Written to appeal to a wide field of engineers and scientists who work on multiscale and multiphysics analysis, Multiphysics and Multiscale Modeling: Techniques and Applications is dedicated to the many computational techniques and methods used to develop man-made systems as well as understand living systems that exist in nature. Presenting a body

Stochastic Multiscale Modeling Of Complex Materials

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Author : Joseph Bakarji
language : en
Publisher:
Release Date : 2020

Stochastic Multiscale Modeling Of Complex Materials written by Joseph Bakarji and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020 with categories.

Multiscale modeling and simulation of complex materials is still a formidable task. The challenge arises due to the lack of scale separation in systems that exhibit nonlinear and chaotic dynamics. In this dissertation, we develop stochastic, multiscale and data-driven methods for modeling complex systems, with a focus on the dynamic compaction of heterogeneous granular materials. We first devise an energy-conserving multiscale hybrid model that explicitly accounts for macropore compaction dynamics at the mesoscale. Subsequently, we develop a probabilistic generalization that models the heterogeneous initial microstructure as a random field to explain thermal localization. The results motivate a data-driven sparse regression method to discover analytical expressions for PDF equations from Monte Carlo simulation data. This method has shown to be a promising direction for data-driven coarse-graining in a wide range of physics and engineering applications. In addition, we introduce model uncertainty and subscale fluctuations that arise due chaotic intergranular stresses through the formalism of stochastic differential equations (SDE). Finally, a hybrid algorithm that couples SDEs with PDEs is developed to combine fine- and coarse-grained probabilistic models in the same domain.

Multiscale Lattices And Composite Materials Optimal Design Modeling And Characterization

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Author : Fernando Fraternali
language : en
Publisher: Frontiers Media SA
Release Date : 2019-11-26

Multiscale Lattices And Composite Materials Optimal Design Modeling And Characterization written by Fernando Fraternali and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-11-26 with categories.